6-(3,5-dimethylpyrazol-1-yl)-N-[(4-methoxyphenyl)methyl]-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-(3,5-dimethylpyrazol-1-yl)-N-[(4-methoxyphenyl)methyl]-5-nitro-pyrimidin-4-amine Openeye Name: 6-(3,5-dimethylpyrazol-1-yl)-N-[(4-methoxyphenyl)methyl]-5-nitro-pyrimidin-4-amine CAS Name: 6-(3,5-dimethyl-1-pyrazolyl)-N-[(4-methoxyphenyl)methyl]-5-nitro-4-pyrimidinamine IUPAC Name: 6-(3,5-dimethylpyrazol-1-yl)-N-[(4-methoxyphenyl)methyl]-5-nitropyrimidin-4-amine Traditional Name: [6-(3,5-dimethylpyrazol-1-yl)-5-nitro-pyrimidin-4-yl]-p-anisyl-amine Formula: C17H18N6O3 MolecularWeight: 354.36322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=C(C(=NC=N2)NCC3=CC=C(C=C3)OC)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NN1C2=C(C(=NC=N2)NCC3=CC=C(C=C3)OC)[N+](=O)[O-])C

InChI

InChI=1S/C17H18N6O3/c1-11-8-12(2)22(21-11)17-15(23(24)25)16(19-10-20-17)18-9-13-4-6-14(26-3)7-5-13/h4-8,10H,9H2,1-3H3,(H,18,19,20)